Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11311241 | 0.89 | TOP2A (0.63) | TOP2AUSP2HSD17B10NLRP3PDE5A | |
| SCHEMBL11325006 | 0.84 | NLRP3 (0.58) | TOP2AUSP2HSD17B10NLRP3PDE5A | |
| SCHEMBL28859305 | 0.83 | POLB (0.50) | HSD17B10ALDH1A1CYP3A4POLBKDM4E | |
| SCHEMBL28278344 | 0.82 | CA12 (0.49) | HSD17B10ALDH1A1POLBKDM4E | |
| SCHEMBL5136112 | 0.81 | CA12 (0.48) | HSD17B10ALDH1A1POLBKDM4E | |
| SCHEMBL9830020 | 0.80 | TOP2A (0.61) | TOP2AUSP2HSD17B10NLRP3ALDH1A1 | |
| SCHEMBL11312355 | 0.79 | TOP2A (0.61) | TOP2AUSP2HSD17B10NLRP3PDE5A | |
| SCHEMBL3668324 | 0.78 | TOP2A (0.60) | TOP2AUSP2HSD17B10PDE5AELANE | |
| SCHEMBL25142537 | 0.77 | ALDH1A1 (0.49) | TOP2AUSP2HSD17B10PDE5AELANE | |
| SCHEMBL13073786 | 0.77 | POLB (0.56) | HSD17B10ALDH1A1CYP3A4POLBKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996022282-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |